methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate

C14H24N2O5 — CID 62955381

IUPACmethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O5/c1-20-13(18)10-15(11-14(19)21-2)9-12(17)16-7-5-3-4-6-8-16/h3-11H2,1-2H3
InChIKeySRUGABJEGHVQKB-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.04
Rot. Bonds6

About methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62955381) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62955381
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namemethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N2O5/c1-20-13(18)10-15(11-14(19)21-2)9-12(17)16-7-5-3-4-6-8-16/h3-11H2,1-2H3
InChIKeySRUGABJEGHVQKB-UHFFFAOYSA-N
XLogP0.04
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
CID 62953322
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
methyl 2-[azepane-1-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79152220
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
CID 62012533
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
3-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]propanoic acid
CID 61010359
3-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 54899793
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate
CID 51107839
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate (CID 62955381) is methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)CC(=O)N1CCCCCC1.
What is the InChIKey of methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is SRUGABJEGHVQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-20-13(18)10-15(11-14(19)21-2)9-12(17)16-7-5-3-4-6-8-16/h3-11H2,1-2H3.
What are the key properties of methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 300.36 g/mol, XLogP of 0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62955381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).